Deutzicoside B
| Internal ID | f5bf0522-2dda-405b-94f8-be9665b50afb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (4aR,5R,6aR,6aS,6bR,10S,12aR,14bR)-5-hydroxy-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H76O17/c1-21-30(51)32(53)34(55)38(60-21)64-37-36(63-39-35(56)33(54)31(52)25(19-48)61-39)24(49)20-59-40(37)62-29-12-13-44(6)26(43(29,4)5)11-14-45(7)27(44)10-9-22-23-17-42(2,3)15-16-47(23,41(57)58)28(50)18-46(22,45)8/h9,21,23-40,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23+,24-,25+,26?,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39+,40-,44-,45+,46+,47+/m0/s1 |
| InChI Key | KIGBZBGUCRFANQ-IEBUKCNUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C47H76O17 |
| Molecular Weight | 913.10 g/mol |
| Exact Mass | 912.50825095 g/mol |
| Topological Polar Surface Area (TPSA) | 275.00 Ų |
| XlogP | 2.70 |
| 137551-42-9 |
| (4aR,5R,6aR,6aS,6bR,10S,12aR,14bR)-5-hydroxy-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Echinocystic acid-3-O-(galactopyranosyl(1-4)-rhamnopyranosyl(1-4))-arabinopyranoside |
| Olean-12-en-28-oic acid, 3-((O-beta-D-galactopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-, (3beta,16alpha)- |
| (4aR,5R,6aR,6aS,6bR,10S,12aR,14bR)-5-hydroxy-10-((2S,3R,4S,5S)-5-hydroxy-4-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| RefChem:132356 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.57% | 96.09% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.18% | 97.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.89% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.23% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.70% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.63% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.79% | 97.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.58% | 90.17% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.14% | 89.44% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.41% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.27% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.04% | 95.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.86% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.16% | 99.17% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Deutzia corymbosa |
| PubChem | 195846 |
| LOTUS | LTS0052892 |
| wikiData | Q105141493 |